ethyl 2-(bromomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate

Systemtic Name: ethyl 2-(bromomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate Openeye Name: ethyl 2-(bromomethyl)-1-methyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 2-(bromomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(bromomethyl)-1-methyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate Traditional Name: 2-(bromomethyl)-1-methyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)CBr

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)CBr

InChI

InChI=1S/C20H20BrNO5S/c1-4-26-20(23)19-16-11-14(7-10-17(16)22(3)18(19)12-21)27-28(24,25)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3